Geometry & MOs

Info

ID:	281613
PubChem CID:	103914120
Reduced:	O2N3C11H21 (1)
Stoich.:	A2B3C11D21 (1)
Weight, g/mol:	291.132671
ΔH_f, kcal/mol:	-70.85
Dipole, Da:	3.19
IP(EA), eV:	-9.01(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-N-(2-methylsulfonylcyclopentyl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC(C1=NC=CN1C)NC(CCO)COC

DOS

IR

Vibrations